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114576-98-6 | Glycine, L-γ-glutamyl-S-(1,4-dihydroxy-2-naphthalenyl)-L-cysteinyl-
CAS No: 114576-98-6 Catalog No: AG000EQH MDL No:
Product Description
Catalog Number:
AG000EQH
Chemical Name:
Glycine, L-γ-glutamyl-S-(1,4-dihydroxy-2-naphthalenyl)-L-cysteinyl-
CAS Number:
114576-98-6
Molecular Formula:
C20H23N3O8S
Molecular Weight:
465.4769
IUPAC Name:
2-amino-5-[[1-(carboxymethylamino)-3-(1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C20H21N3O8S/c21-12(20(30)31)5-6-16(25)23-13(19(29)22-8-17(26)27)9-32-15-7-14(24)10-3-1-2-4-11(10)18(15)28/h1-4,7,12-13H,5-6,8-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)
InChI Key:
DZOBWVMUCRPQTL-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)NCC(=O)O)CSc1cc(O)c2c(c1O)cccc2)CC[C@@H](C(=O)O)N
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.105g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
463.461g/mol
Monoisotopic Mass:
463.105g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
Literature
| Title | Journal |
|---|---|
| Differences in the localization and extent of the renal proximal tubular necrosis caused by mercapturic acid and glutathione conjugates of 1,4-naphthoquinone and menadione. | Toxicology and applied pharmacology 19900615 |
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